[5-bromanyl-2-(2,2-dimethylpropoxycarbonyl)phenyl]boronic acid

Systemtic Name: [5-bromanyl-2-(2,2-dimethylpropoxycarbonyl)phenyl]boronic acid Openeye Name: [5-bromo-2-(2,2-dimethylpropoxycarbonyl)phenyl]boronic acid CAS Name: [5-bromo-2-[2,2-dimethylpropoxy(oxo)methyl]phenyl]boronic acid IUPAC Name: [5-bromo-2-(2,2-dimethylpropoxycarbonyl)phenyl]boronic acid Traditional Name: (5-bromo-2-neopentyloxycarbonyl-phenyl)boronic acid Formula: C12H16BBrO4 MolecularWeight: 314.96804

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C=CC(=C1)Br)C(=O)OCC(C)(C)C)(O)O

Isomeric SMILES

B(C1=C(C=CC(=C1)Br)C(=O)OCC(C)(C)C)(O)O

InChI

InChI=1S/C12H16BBrO4/c1-12(2,3)7-18-11(15)9-5-4-8(14)6-10(9)13(16)17/h4-6,16-17H,7H2,1-3H3